ABSTRACT
Fe(II)-porphyrin complexes exhibit a diverse range of electronic interactions between the metal and macrocycle. Herein, the incremental full configuration interaction method is applied to the entire space of valence orbitals of a Fe(II)-porphyrin model using a modest basis set. A novel visualization framework is proposed to analyze individual many-body contributions to the correlation energy, providing detailed maps of this complex's highly correlated electronic structure. This technique is used to parse the numerous interactions of two low-lying triplet states (3A2g and 3Eg) and to show that strong metal d-d and macrocycle π-π orbital interactions preferentially stabilize the 3A2g state. d-π interactions, on the other hand, preferentially stabilize the 3Eg state and primarily appear when correlating six electrons at a time. Ultimately, the Fe(II)-porphyrin model's full set of 88 valence electrons are correlated in 275 orbitals, showing the interactions up to the 4-body level, which covers the great majority of correlations in this system.
ABSTRACT
Traumatic events within the working environment are common in certain kinds of jobs. The aim of this study was to describe the size and character of the traumatic event and the circumstances connected to the event in ten consecutively admitted patients to a department of occupational medicine. Furthermore to describe predisposing mental factors, the symptoms following the event and the relation between these symptoms and the symptoms used in the diagnosis of PTSD. It was found that only one of ten patients met all criteria for having the diagnosis of PTSD. Nine of 10 met all the symptom criteria, but the majority did not fulfil the criteria of having experienced an exceptionally threatening or catastrophic event. Several of the patients were characterized as having an anti-aggressive nature and being highly ambitious in their jobs. Symptoms seem to remain for a long time. It was concluded that PTSD may follow even smaller stressful events. Predisposing mental factors and factors connected to the event may be of importance regarding the extent and duration of symptoms. Psychological treatment was experienced as valuable.
Subject(s)
Stress Disorders, Post-Traumatic/etiology , Violence , Adult , Denmark , Female , Humans , Male , Middle Aged , Occupational Health Services , Stress Disorders, Post-Traumatic/diagnosis , Stress Disorders, Post-Traumatic/therapy , WorkplaceABSTRACT
The purpose of this research project was to examine, in retrospect, the effect of certain factors on the incidence of the use of restrains before and after the introduction of the Danish law reform concerning compulsory treatment. Data concerning the use of restraints on four locked wards in the Psychiatric Department of Glostrup Hospital during a six-month period in 1988 were compared with equivalent data from a six-month period in 1991. It was found that the law reform had no statistically significant influence on the incidence of the use of restraints. Factors such as high bed occupancy rate and shortage of staff did not lead to a higher incidence of use of restraint.
Subject(s)
Commitment of Mentally Ill , Patient Isolation , Restraint, Physical , Commitment of Mentally Ill/legislation & jurisprudence , Commitment of Mentally Ill/statistics & numerical data , Denmark , Female , Humans , Male , Patient Isolation/legislation & jurisprudence , Patient Isolation/statistics & numerical data , Restraint, Physical/legislation & jurisprudence , Retrospective StudiesABSTRACT
We determined broadband ultrasound attenuation (BUA) of the calcaneus, and bone mineral density (BMD) of the spine, proximal femur and radius in 137 healthy subjects (79 women and 58 men) and in 56 women with Colles' fracture. The repeated measurements on 9 healthy subjects indicated a short-term reproducibility (coefficient of variation) of 4 percent for BUA. There was a small (7 percent) but significant difference in BUA between normal men and women. The age-dependence in normal subjects was weak. When all the study subjects were pooled, modest correlations between BUA of the calcaneus and BMD at all measured skeletal sites were found (rs values 0.3-0.4). However, it was not possible to make an accurate prediction of the axial BMD, using BUA. BUA values were 13 percent lower in the wrist fracture patients than in the age-matched normals. In general, BUA could discriminate the fracture patients from normals as effectively as BMD. As suggested by the physical theory of ultrasound attenuation, our results support the idea that BUA reflects not only the bone density but also other factors related to the structural properties of bone.